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2-fluoro-4'-methoxy-[1,1'-biphenyl]-3-carboxylic acid

2-fluoro-4'-methoxy-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1381944-28-0

Formula: C14H11FO3

SMILES: COC1=CC=C(C=C1)C1=CC=CC(C(O)=O)=C1F

IUPAC: 2-fluoro-4'-methoxy-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C14H11FO3/c1-18-10-7-5-9(6-8-10)11-3-2-4-12(13(11)15)14(16)17/h2-8H,1H3,(H,16,17)

Composition: C (68.29%), H (4.50%), F (7.72%), O (19.49%)

Molar Mass: 246.237

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.069222377
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QTWAXSYIEXLMIS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.13
Topological Polar Surface Area 46.53
Polarizability 25.77
Ring Count 2
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1381944-28-0 $409.40-$1,713.50$409.40$1,061.45$1,713.50
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